5-acetyl-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0271 |
| Compound Name: | 5-acetyl-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C20 H22 N4 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(NCc1nc2cc(C)ccc2[nH]1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4275 |
| logD: | 3.3963 |
| logSw: | -3.955 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.662 |
| InChI Key: | KDXWYAPPKBKXIB-UHFFFAOYSA-N |